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Compile Data Set for Download or QSAR

Found 1 hit of ec50 for monomerid = 50195207   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50195207
PNG
(2-oxo-3-(5-(piperidin-1-ylmethyl)-1H-indol-2-yl)-1...)
Show SMILES O=c1[nH]c2ccc(cc2cc1-c1cc2cc(CN3CCCCC3)ccc2[nH]1)C#N
Show InChI InChI=1S/C24H22N4O/c25-14-16-4-6-22-18(10-16)12-20(24(29)27-22)23-13-19-11-17(5-7-21(19)26-23)15-28-8-2-1-3-9-28/h4-7,10-13,26H,1-3,8-9,15H2,(H,27,29)
PDB
MMDB

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PC sid
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Similars

Article
PubMed
n/an/an/an/a 170n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Release of camptothecin-induced cell cycle arrest in NCI-H1299 cells mediated by CHEK1 inhibition


Bioorg Med Chem Lett 16: 5907-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.053
BindingDB Entry DOI: 10.7270/Q27H1J73
More data for this
Ligand-Target Pair
3D
3D Structure (docked)